methyl (2E,4E,6S)-4-methyl-6-[(2S,4E,6E,10R,11R,12E,18E)-4-methyl-14,20-dioxo-10-trimethylsilyloxy-11-tri(propan-2-yl)silyloxy-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]hepta-2,4-dienoate

C41H68O7Si2 — CID 59558875

IUPACmethyl (2E,4E,6S)-4-methyl-6-[(2S,4E,6E,10R,11R,12E,18E)-4-methyl-14,20-dioxo-10-trimethylsilyloxy-11-tri(propan-2-yl)silyloxy-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]hepta-2,4-dienoate
SMILESCOC(=O)/C=C/C(C)=C/[C@H](C)[C@@H]1C/C(C)=C/C=C/CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)/C=C/C(=O)CCC/C=C/C(=O)O1
InChIInChI=1S/C41H68O7Si2/c1-30(2)50(31(3)4,32(5)6)48-38-26-25-36(42)21-17-15-19-23-41(44)46-39(35(9)28-34(8)24-27-40(43)45-10)29-33(7)20-16-14-18-22-37(38)47-49(11,12)13/h14,16,19-20,23-28,30-32,35,37-39H,15,17-18,21-22,29H2,1-13H3/b16-14+,23-19+,26-25+,27-24+,33-20+,34-28+/t35-,37+,38+,39-/m0/s1
InChIKeyOITFAUYZEBZEDC-OWCPLOACSA-N
MW729.16 g/mol
LogP10.53
Rot. Bonds11

About methyl (2E,4E,6S)-4-methyl-6-[(2S,4E,6E,10R,11R,12E,18E)-4-methyl-14,20-dioxo-10-trimethylsilyloxy-11-tri(propan-2-yl)silyloxy-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]hepta-2,4-dienoate

methyl (2E,4E,6S)-4-methyl-6-[(2S,4E,6E,10R,11R,12E,18E)-4-methyl-14,20-dioxo-10-trimethylsilyloxy-11-tri(propan-2-yl)silyloxy-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]hepta-2,4-dienoate (PubChem CID 59558875) has the molecular formula C41H68O7Si2 and a molecular weight of 729.16 g/mol. Its IUPAC name is methyl (2E,4E,6S)-4-methyl-6-[(2S,4E,6E,10R,11R,12E,18E)-4-methyl-14,20-dioxo-10-trimethylsilyloxy-11-tri(propan-2-yl)silyloxy-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]hepta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E,6S)-4-methyl-6-[(2S,4E,6E,10R,11R,12E,18E)-4-methyl-14,20-dioxo-10-trimethylsilyloxy-11-tri(propan-2-yl)silyloxy-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]hepta-2,4-dienoate
PubChem CID59558875
Molecular FormulaC41H68O7Si2
Molecular Weight729.16 g/mol
Exact Mass728.45
IUPAC Namemethyl (2E,4E,6S)-4-methyl-6-[(2S,4E,6E,10R,11R,12E,18E)-4-methyl-14,20-dioxo-10-trimethylsilyloxy-11-tri(propan-2-yl)silyloxy-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]hepta-2,4-dienoate
SMILESCOC(=O)/C=C/C(C)=C/[C@H](C)[C@@H]1C/C(C)=C/C=C/CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)/C=C/C(=O)CCC/C=C/C(=O)O1
InChIInChI=1S/C41H68O7Si2/c1-30(2)50(31(3)4,32(5)6)48-38-26-25-36(42)21-17-15-19-23-41(44)46-39(35(9)28-34(8)24-27-40(43)45-10)29-33(7)20-16-14-18-22-37(38)47-49(11,12)13/h14,16,19-20,23-28,30-32,35,37-39H,15,17-18,21-22,29H2,1-13H3/b16-14+,23-19+,26-25+,27-24+,33-20+,34-28+/t35-,37+,38+,39-/m0/s1
InChIKeyOITFAUYZEBZEDC-OWCPLOACSA-N
XLogP10.53
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.16
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl (2E,4E,6S)-4-methyl-6-[(2S,4E,6E,10R,11R,12E,18E)-4-methyl-14,20-dioxo-10-trimethylsilyloxy-11-tri(propan-2-yl)silyloxy-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]hepta-2,4-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E,6S)-4-methyl-6-[(2S,4E,6E,10R,11R,12E,18E)-4-methyl-14,20-dioxo-10-trimethylsilyloxy-11-tri(propan-2-yl)silyloxy-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]hepta-2,4-dienoate?
The IUPAC name of methyl (2E,4E,6S)-4-methyl-6-[(2S,4E,6E,10R,11R,12E,18E)-4-methyl-14,20-dioxo-10-trimethylsilyloxy-11-tri(propan-2-yl)silyloxy-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]hepta-2,4-dienoate (CID 59558875) is methyl (2E,4E,6S)-4-methyl-6-[(2S,4E,6E,10R,11R,12E,18E)-4-methyl-14,20-dioxo-10-trimethylsilyloxy-11-tri(propan-2-yl)silyloxy-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]hepta-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E,6S)-4-methyl-6-[(2S,4E,6E,10R,11R,12E,18E)-4-methyl-14,20-dioxo-10-trimethylsilyloxy-11-tri(propan-2-yl)silyloxy-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]hepta-2,4-dienoate?
The canonical SMILES for methyl (2E,4E,6S)-4-methyl-6-[(2S,4E,6E,10R,11R,12E,18E)-4-methyl-14,20-dioxo-10-trimethylsilyloxy-11-tri(propan-2-yl)silyloxy-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]hepta-2,4-dienoate is COC(=O)/C=C/C(C)=C/[C@H](C)[C@@H]1C/C(C)=C/C=C/CC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)/C=C/C(=O)CCC/C=C/C(=O)O1.
What is the InChIKey of methyl (2E,4E,6S)-4-methyl-6-[(2S,4E,6E,10R,11R,12E,18E)-4-methyl-14,20-dioxo-10-trimethylsilyloxy-11-tri(propan-2-yl)silyloxy-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]hepta-2,4-dienoate?
The InChIKey is OITFAUYZEBZEDC-OWCPLOACSA-N. The full InChI is InChI=1S/C41H68O7Si2/c1-30(2)50(31(3)4,32(5)6)48-38-26-25-36(42)21-17-15-19-23-41(44)46-39(35(9)28-34(8)24-27-40(43)45-10)29-33(7)20-16-14-18-22-37(38)47-49(11,12)13/h14,16,19-20,23-28,30-32,35,37-39H,15,17-18,21-22,29H2,1-13H3/b16-14+,23-19+,26-25+,27-24+,33-20+,34-28+/t35-,37+,38+,39-/m0/s1.
What are the key properties of methyl (2E,4E,6S)-4-methyl-6-[(2S,4E,6E,10R,11R,12E,18E)-4-methyl-14,20-dioxo-10-trimethylsilyloxy-11-tri(propan-2-yl)silyloxy-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]hepta-2,4-dienoate?
methyl (2E,4E,6S)-4-methyl-6-[(2S,4E,6E,10R,11R,12E,18E)-4-methyl-14,20-dioxo-10-trimethylsilyloxy-11-tri(propan-2-yl)silyloxy-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]hepta-2,4-dienoate has a molecular weight of 729.16 g/mol, XLogP of 10.53, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E,6S)-4-methyl-6-[(2S,4E,6E,10R,11R,12E,18E)-4-methyl-14,20-dioxo-10-trimethylsilyloxy-11-tri(propan-2-yl)silyloxy-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]hepta-2,4-dienoate is sourced from PubChem (CID 59558875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).